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4-Bromo-3-chlorophenol

4-Bromo-3-chlorophenol structure

CAS No:
13631-21-5
Formula:
C6H4BrClO
Chemical Name:
4-Bromo-3-chlorophenol
Synonyms:
Phenol,4-bromo-3-chloro-;4-Bromo-3-chlorophenol;3-Chloro-4-bromophenol
Categories:
Organic Chemistry > Alcohols, Phenols, Phenol Alcohols

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4-Bromo-3-chlorophenol Basic Attributes

Molecular Weight：

207.45

Exact Mass：

207.45

BRN：

3236445

DSSTox ID：

DTXSID70426955

HScode：

2908199090

Characteristics

PSA：

20.2

XLogP3：

3.4

Density：

1.788±0.06 g/cm3(Predicted)

Melting Point：

63 °C

Boiling Point：

267.5±20.0 °C(Predicted)

Flash Point：

115.6±21.8 °C

Refractive Index：

1.619

Water Solubility：

Slightly soluble in water.

Safety Information

hazard class code：

36/37/38-22

safety instructions：

26-36/37/39

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (97.18%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 71 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Bromo-3-chlorophenol Use and Manufacturing

Step 1: Combine General procedure: A solution of the corresponding phenol (1.0 eq) and K2C03 or Cs2C03 (1.5 eq.) in DMF (0.4 M) was stirred for 30min at rt. The particular halogenalkane (1.5 eq.) and Kl (1.0 eq.) were added to the suspension and the mixture was stirred for 2h at 80C. The mixture was cooled to rt and diluted with saturated, aqueous NH4CI solution. The aqueous phase was extracted with Et20, the organic extracts were dried over sodium sulfate and the solvent was removed under reduced pressure. The crude product was purified via flash chromatography (Si02, PE/EtOAc 0 - 5%).To a solution of

Computed Properties

Molecular Weight:207.45
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:205.91341
Monoisotopic Mass:205.91341
Topological Polar Surface Area:20.2
Heavy Atom Count:9
Complexity:99.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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